A unified set of experimental organometallic data used to evaluate modern theoretical methods-Reference-Cited by-同舟云学术

A unified set of experimental organometallic data used to evaluate modern theoretical methods

Published:2016 Issue:35 Volume:45 Page:13766-13778
ISSN:1477-9226
Container-title:Dalton Transactions
language:en
Short-container-title:Dalton Trans.

Author:

Raju Rajesh K.¹²³⁴^ORCID,Bengali Ashfaq A.¹²³⁴,Brothers Edward N.¹²³⁴

Affiliation:

1. Department of Chemistry

2. Texas A&M University at Qatar

3. Doha

4. Qatar

Abstract

We applied a test set of ligand dissociation enthalpies derived entirely from a unified experimental approach to evaluate the efficacy of various methods for modeling organometallic chemistry.

Funder

Qatar National Research Fund

Publisher

Royal Society of Chemistry (RSC)

Subject

Inorganic Chemistry

Link

http://pubs.rsc.org/en/content/articlepdf/2016/DT/C6DT02763F

Reference109 articles.

1. Designing meaningful density functional theory calculations in materials science—a primer

2. Towards the computational design of solid catalysts

3. Multiscale simulation of nanosystems

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